[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C19H15N5O3S MolecularWeight: 393.4191

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C(=O)OCC(=O)NC3=CC=CC4=NSN=C43

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)C(=O)OCC(=O)NC3=CC=CC4=NSN=C43

InChI

InChI=1S/C19H15N5O3S/c25-17(21-15-7-4-8-16-18(15)23-28-22-16)12-27-19(26)14-9-20-24(11-14)10-13-5-2-1-3-6-13/h1-9,11H,10,12H2,(H,21,25)